RefMet Compound Details

RefMet IDRM0135046
MW structure13381 (View MW Metabolite Database details)
RefMet namePC 16:0/16:0   Species distribution   Sample source distribution
Alternative namePC(16:0/16:0)
Systematic name1,2-dihexadecanoyl-sn-glycero-3-phosphocholine
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionPC 32:0 View other entries in RefMet with this sum composition
Exact mass733.562157 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC40H80NO8PView other entries in RefMet with this formula
InChIInChI=1S/C40H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-2
7-25-23-21-19-17-15-13-11-9-7-2/h38H,6-37H2,1-5H3/t38-/m1/s1
InChIKeyKILNVBDSWZSGLL-KXQOOQHDSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassGlycerophospholipids
Main ClassGlycerophosphocholines
Sub ClassPC (Phosphatidylcholines)
Pubchem CID452110
ChEBI ID72999
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving PC 16:0/16:0

Rxn IDKEGG ReactionEnzyme
R01310 Phosphatidylcholine + H2O <=> Phosphatidate + Cholinephosphatidylcholine phosphatidohydrolase
R01315 Phosphatidylcholine + H2O <=> 1-Acyl-sn-glycero-3-phosphocholine + Fatty acidphosphatidylcholine 2-acylhydrolase
R01316 Phosphatidylcholine + H2O <=> 2-Acyl-sn-glycero-3-phosphocholine + Fatty acidphosphatidylcholine 1-acylhydrolase
R01317 Phosphatidylcholine + H2O <=> 1-Acyl-sn-glycero-3-phosphocholine + Arachidonatephosphatidylcholine 2-acylhydrolase
R01318 Acyl-CoA + 1-Acyl-sn-glycero-3-phosphocholine <=> CoA + PhosphatidylcholineAcyl-CoA:1-acyl-sn-glycero-3-phosphocholine O-acyltransferase
R01320 S-Adenosyl-L-methionine + Phosphatidyl-N-dimethylethanolamine <=> S-Adenosyl-L-homocysteine + PhosphatidylcholineS-adenosyl-L-methionine:phosphatidyl-N-dimethylethanolamine N-methyltransferase
R01321 CDP-choline + 1,2-Diacyl-sn-glycerol <=> CMP + PhosphatidylcholineCDP-choline:1,2-diacyl-sn-glycerol cholinephosphotransferase
R02114 Phosphatidylcholine + Sterol <=> 1-Acyl-sn-glycero-3-phosphocholine + Steryl esterPhosphatidylcholine:sterol O-acyltransferase
R07064 Phosphatidylcholine + H2O <=> 1-Acyl-sn-glycero-3-phosphocholine + Linoleatephosphatidylcholine 2-acylhydrolase
R07377 Phosphatidylcholine + L-Serine <=> Phosphatidylserine + CholinePhosphatidylcholine + L-Serine <=> Phosphatidylserine + Choline
R07859 Phosphatidylcholine + H2O <=> 1-Acyl-sn-glycero-3-phosphocholine + (9Z,12Z,15Z)-Octadecatrienoic acidPhosphatidylcholine + H2O <=> 1-Acyl-sn-glycero-3-phosphocholine + (9Z,12Z,15Z)-Octadecatrienoic acid
R07860 Phosphatidylcholine + H2O <=> 2-Acyl-sn-glycero-3-phosphocholine + (9Z,12Z,15Z)-Octadecatrienoic acidPhosphatidylcholine + H2O <=> 2-Acyl-sn-glycero-3-phosphocholine + (9Z,12Z,15Z)-Octadecatrienoic acid

Table of KEGG human pathways containing PC 16:0/16:0

Pathway IDHuman Pathway# of reactions
hsa00564 Glycerophospholipid metabolism 8
hsa00592 alpha-Linolenic acid metabolism 2
hsa00590 Arachidonic acid metabolism 1
hsa00591 Linoleic acid metabolism 1
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